[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] cyclopropanecarboxylate

C15H20N2O6S — CID 3975162

IUPAC[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] cyclopropanecarboxylate
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)C1CC1
InChIInChI=1S/C15H20N2O6S/c1-17(2)24(20,21)11-6-7-13(22-3)12(8-11)16-14(18)9-23-15(19)10-4-5-10/h6-8,10H,4-5,9H2,1-3H3,(H,16,18)
InChIKeySYXAPBWZGFMNHO-UHFFFAOYSA-N
MW356.40 g/mol
LogP0.84
Rot. Bonds7

About [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] cyclopropanecarboxylate

[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 3975162) has the molecular formula C15H20N2O6S and a molecular weight of 356.40 g/mol. Its IUPAC name is [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] cyclopropanecarboxylate
PubChem CID3975162
Molecular FormulaC15H20N2O6S
Molecular Weight356.40 g/mol
Exact Mass356.10
IUPAC Name[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] cyclopropanecarboxylate
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)C1CC1
InChIInChI=1S/C15H20N2O6S/c1-17(2)24(20,21)11-6-7-13(22-3)12(8-11)16-14(18)9-23-15(19)10-4-5-10/h6-8,10H,4-5,9H2,1-3H3,(H,16,18)
InChIKeySYXAPBWZGFMNHO-UHFFFAOYSA-N
XLogP0.84
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] cyclopropanecarboxylate (CID 3975162) is [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] cyclopropanecarboxylate is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)C1CC1.
What is the InChIKey of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is SYXAPBWZGFMNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6S/c1-17(2)24(20,21)11-6-7-13(22-3)12(8-11)16-14(18)9-23-15(19)10-4-5-10/h6-8,10H,4-5,9H2,1-3H3,(H,16,18).
What are the key properties of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] cyclopropanecarboxylate?
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 356.40 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 3975162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).